David B. Harwood

First-Principles Molecular Dynamics Study of a Deep Eutectic Solvent: Choline Chloride/Urea and Its Mixture with Water

Evgenii O. Fetisov, David B. Harwood, I‐Feng W. Kuo et al. · The Journal of Physical Chemistry B · 2017 · 172 citations · Full text

Monte Carlo Simulations of Fluid Phase Equilibria and Interfacial Properties for Water/Alkane Mixtures: An Assessment of Nonpolarizable Water Models and of Departures from the Lorentz–Berthelot Combining Rules

Xue Bai, David B. Harwood, Jingyi L. Chen et al. · Journal of Chemical & Engineering Data · 2018 · 47 citations

Engineering, Tip4p Water Model, Phase Equilibria +23

A Monte Carlo simulation study of the liquid–liquid equilibria for binary dodecane/ethanol and ternary dodecane/ethanol/water mixtures

David B. Harwood, Cornelis J. Peters, J. Ilja Siepmann · Fluid Phase Equilibria · 2015 · 30 citations

Binary Dodecane/ethanol, Engineering, Molecular Thermodynamics +9

Mercury Capture from Petroleum Using Deep Eutectic Solvents

Samah E. E. Warrag, Evgenii O. Fetisov, Dannie J. G. P. van Osch et al. · Industrial & Engineering Chemistry Research · 2018 · 29 citations

Solvent Extraction, Engineering, Chemistry +16

A Monte Carlo simulation study of the interfacial tension for water/oil mixtures at elevated temperatures and pressures: Water/n-dodecane, water/toluene, and water/(n-dodecane + toluene)

Jingyi L. Chen, Xue Bai, David B. Harwood et al. · Fluid Phase Equilibria · 2017 · 21 citations

Elevated Temperatures, Engineering, Water/oil Mixtures +11